Vitas-M small molecule compound

1-[3-(naphthalen-2-yloxy)propyl]-1H-benzimidazol-2-yl 3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-1-thio-beta-D-glucopyranoside

Catalog ID
STL535632
SMILES CC(=O)OC[C@H]1O[C@@H](Sc2nc3c(n2CCCOc2ccc4c(c2)cccc4)cccc3)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)NC(=O)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C34H37N3O9S MW 663.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H37N3O9S/c1-20(38)35-30-32(45-23(4)41)31(44-22(3)40)29(19-43-21(2)39)46-33(30)47-34-36-27-12-7-8-13-28(27)37(34)16-9-17-42-26-15-14-24-10-5-6-11-25(24)18-26/h5-8,10-15,18,29-33H,9,16-17,19H2,1-4H3,(H,35,38)/t29-,30-,31-,32-,33+/m1/s1
InChIKey
AAKLSNYIECKUJI-UPYFENACSA-N
Synonyms
1014058-93-5
((2~(R)3~(S)4~(R)5~(R)6~(S))5acetamido34diacetyloxy6(1(3naphthalen2yloxypropyl)benzimidazol2yl)sulfanyloxan2yl)methylacetate
(2R3S4R5R6S)5acetamido2(acetoxymethyl)6((1(3(naphthalen2yloxy)propyl)1Hbenzo(d)imidazol2yl)thio)tetrahydro2Hpyran34diyldiacetate
1(3(naphthalen2yloxy)propyl)1Hbenzimidazol2yl346triOacetyl2(acetylamino)2deoxy1thiobetaDglucopyranoside
1014058935
17572332
CC(=O)OC(C@H)1O(C@@H)(Sc2nc3c(n2CCCOc2ccc4c(c2)cccc4)cccc3)(C@@H)((C@H)((C@@H)1OC(=O)C)OC(=O)C)NC(=O)C
InChI=1SC34H37N3O9Sc120(38)353032(4523(4)41)31(4422(3)40)29(194321(2)39)4633(30)4734362712781328(27)37(34)16917422615142410561125(24)1826h581015182933H9161719H214H3(H3538)t2930313233+m1s1
MFCD09844025
ZINC000079232009
ZINC79232009

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Available files

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